Information card for entry 1516942

Structure parameters

• Formula: C92 H76 Co5 N20 O12
• Calculated formula: C92 H76 Co5 N20 O12
• SMILES: [Co]12(OC3=[N]4[Co]5(Oc6ccccc36)(OC3=[N]6[Co](OC(=[N]56)C(=O)N14)(Oc1c3cccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1)([n]1ccccc1)[n]1ccccc1)(OC1=[N]3[Co]4(Oc5ccccc15)(OC1=[N]5[Co](OC(=[N]45)C(=O)N23)(Oc2c1cccc2)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1)([n]1ccccc1)[n]1ccccc1)([n]1ccccc1)[n]1ccccc1
• Title of publication: Metal clusters constructed by dihydrazide ligand: Synthesis, structure and magnetic properties
• Authors of publication: Dongcheng Liu; Zilu Chen; Wanyun Huang; Suni Qin; Liping Jiang; Suping Zhou; Fupei Liang
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 400
• Pages of publication: 179 - 183
• a: 18.2086 ± 0.0003 Å
• b: 16.0597 ± 0.0002 Å
• c: 19.708 ± 0.0003 Å
• α: 90°
• β: 94.204 ± 0.001°
• γ: 90°
• Cell volume: 5747.6 ± 0.15 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No